272
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.46Å | Aromatic |
| C1 | O24 | sing | 1.36Å | 1.24Å | |
| C2 | C3 | sing | 1.39Å | 1.42Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.40Å | 1.43Å | Aromatic |
| C3 | O10 | sing | 1.35Å | 1.33Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.47Å | Aromatic |
| C4 | C12 | sing | 1.47Å | 1.46Å | Aromatic |
| C5 | C6 | doub | 1.37Å | 1.45Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| O10 | N11 | sing | 1.41Å | 1.31Å | Aromatic |
| N11 | C12 | doub | 1.31Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.53Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.45Å | Aromatic |
| C13 | C18 | sing | 1.40Å | 1.43Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.43Å | Aromatic |
| C14 | O23 | sing | 1.36Å | 1.23Å | |
| C15 | C16 | doub | 1.39Å | 1.42Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | sing | 1.39Å | 1.44Å | Aromatic |
| C16 | O22 | sing | 1.36Å | 1.24Å | |
| C17 | C18 | doub | 1.38Å | 1.45Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| O22 | H22 | sing | 0.97Å | 0.95Å | |
| O23 | H23 | sing | 0.97Å | 0.95Å | |
| O24 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.4° | 120.4° |
| C2 | C1 | O24 | 117.7° | 119.8° |
| C1 | C2 | C3 | 117.7° | 119.8° |
| C1 | C2 | H2 | 121.4° | 120.1° |
| C6 | C1 | O24 | 120.9° | 119.8° |
| C1 | C6 | C5 | 119.9° | 120.4° |
| C1 | C6 | H6 | 120.4° | 119.8° |
| C1 | O24 | H24 | 117.6° | 106.8° |
| C3 | C2 | H2 | 120.9° | 120.1° |
| C2 | C3 | C4 | 123.9° | 119.5° |
| C2 | C3 | O10 | 127.5° | 133.3° |
| C4 | C3 | O10 | 108.6° | 107.3° |
| C3 | C4 | C5 | 118.7° | 120.0° |
| C3 | C4 | C12 | 107.1° | 106.4° |
| C3 | O10 | N11 | 107.4° | 109.5° |
| C5 | C4 | C12 | 134.2° | 133.6° |
| C4 | C5 | C6 | 118.4° | 119.9° |
| C4 | C5 | H5 | 121.3° | 120.0° |
| C4 | C12 | N11 | 100.5° | 107.2° |
| C4 | C12 | C13 | 133.8° | 126.4° |
| C6 | C5 | H5 | 120.3° | 120.1° |
| C5 | C6 | H6 | 119.7° | 119.8° |
| O10 | N11 | C12 | 116.4° | 109.6° |
| N11 | C12 | C13 | 125.6° | 126.4° |
| C12 | C13 | C14 | 119.9° | 120.1° |
| C12 | C13 | C18 | 121.5° | 120.1° |
| C14 | C13 | C18 | 118.6° | 119.8° |
| C13 | C14 | C15 | 122.1° | 119.8° |
| C13 | C14 | O23 | 123.1° | 120.1° |
| C13 | C18 | C17 | 119.2° | 119.9° |
| C13 | C18 | H18 | 119.8° | 120.0° |
| C15 | C14 | O23 | 114.8° | 120.1° |
| C14 | C15 | C16 | 119.1° | 120.0° |
| C14 | C15 | H15 | 120.9° | 120.0° |
| C14 | O23 | H23 | 123.1° | 106.8° |
| C16 | C15 | H15 | 120.0° | 120.0° |
| C15 | C16 | C17 | 120.0° | 120.2° |
| C15 | C16 | O22 | 119.7° | 119.8° |
| C17 | C16 | O22 | 120.3° | 119.9° |
| C16 | C17 | C18 | 121.0° | 120.2° |
| C16 | C17 | H17 | 119.2° | 119.9° |
| C16 | O22 | H22 | 119.7° | 106.8° |
| C18 | C17 | H17 | 119.8° | 119.8° |
| C17 | C18 | H18 | 121.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O24 | 179.8° | 179.9° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.0° | 0.2° |
| C1 | C2 | C3 | O10 | 179.4° | 179.9° |
| C2 | C1 | C6 | C5 | 0.0° | 0.0° |
| C2 | C1 | C6 | H6 | 180.0° | 180.0° |
| C2 | C1 | O24 | H24 | 180.0° | 90.1° |
| C6 | C1 | C2 | C3 | 0.0° | 0.1° |
| C6 | C1 | C2 | H2 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.3° |
| C1 | C6 | C5 | H6 | 179.9° | 180.0° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| C6 | C1 | O24 | H24 | 0.1° | 90.0° |
| O24 | C1 | C2 | C3 | 179.8° | 180.0° |
| O24 | C1 | C2 | H2 | 0.2° | 0.1° |
| O24 | C1 | C6 | C5 | 179.8° | 179.9° |
| O24 | C1 | C6 | H6 | 0.2° | 0.1° |
| C2 | C3 | C4 | O10 | 179.5° | 179.8° |
| C2 | C3 | C4 | C5 | 0.1° | 0.5° |
| C2 | C3 | C4 | C12 | 179.9° | 179.8° |
| C2 | C3 | O10 | N11 | 179.2° | 180.0° |
| H2 | C2 | C3 | C4 | 180.0° | 179.8° |
| H2 | C2 | C3 | O10 | 0.6° | 0.0° |
| C3 | C4 | C5 | C12 | 179.7° | 179.1° |
| C3 | C4 | C5 | C6 | 0.1° | 0.5° |
| C3 | C4 | C5 | H5 | 179.9° | 179.8° |
| C4 | C3 | O10 | N11 | 0.3° | 0.2° |
| C3 | C4 | C12 | N11 | 0.8° | 0.3° |
| C3 | C4 | C12 | C13 | 177.3° | 179.9° |
| O10 | C3 | C4 | C5 | 179.4° | 179.7° |
| O10 | C3 | C4 | C12 | 0.3° | 0.3° |
| C3 | O10 | N11 | C12 | 1.0° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C4 | C5 | C6 | H6 | 180.0° | 179.7° |
| C5 | C4 | C12 | N11 | 178.9° | 179.6° |
| C5 | C4 | C12 | C13 | 2.5° | 0.6° |
| C12 | C4 | C5 | C6 | 179.8° | 179.7° |
| C12 | C4 | C5 | H5 | 0.2° | 0.6° |
| C4 | C12 | N11 | O10 | 1.1° | 0.2° |
| C4 | C12 | N11 | C13 | 176.8° | 179.8° |
| C4 | C12 | C13 | C14 | 172.8° | 140.0° |
| C4 | C12 | C13 | C18 | 6.9° | 39.9° |
| H5 | C5 | C6 | H6 | 0.0° | 0.0° |
| O10 | N11 | C12 | C13 | 178.0° | 180.0° |
| N11 | C12 | C13 | C14 | 2.9° | 39.8° |
| N11 | C12 | C13 | C18 | 177.4° | 140.3° |
| C12 | C13 | C14 | C18 | 179.7° | 179.9° |
| C12 | C13 | C14 | C15 | 179.7° | 179.8° |
| C12 | C13 | C14 | O23 | 0.4° | 0.0° |
| C12 | C13 | C18 | C17 | 179.7° | 180.0° |
| C12 | C13 | C18 | H18 | 0.3° | 0.0° |
| C13 | C14 | C15 | O23 | 179.9° | 179.8° |
| C13 | C14 | C15 | C16 | 0.1° | 0.5° |
| C13 | C14 | C15 | H15 | 179.9° | 180.0° |
| C14 | C13 | C18 | C17 | 0.0° | 0.1° |
| C14 | C13 | C18 | H18 | 180.0° | 180.0° |
| C13 | C14 | O23 | H23 | 180.0° | 90.0° |
| C18 | C13 | C14 | C15 | 0.0° | 0.3° |
| C18 | C13 | C14 | O23 | 179.9° | 180.0° |
| C13 | C18 | C17 | C16 | 0.1° | 0.1° |
| C13 | C18 | C17 | H18 | 180.0° | 179.9° |
| C13 | C18 | C17 | H17 | 179.9° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.6° |
| C14 | C15 | C16 | C17 | 0.2° | 0.5° |
| C14 | C15 | C16 | O22 | 179.9° | 179.8° |
| C15 | C14 | O23 | H23 | 0.1° | 89.7° |
| O23 | C14 | C15 | C16 | 180.0° | 179.8° |
| O23 | C14 | C15 | H15 | 0.0° | 0.2° |
| C15 | C16 | C17 | O22 | 179.9° | 179.7° |
| C15 | C16 | C17 | C18 | 0.2° | 0.3° |
| C15 | C16 | C17 | H17 | 179.8° | 179.8° |
| C15 | C16 | O22 | H22 | 180.0° | 90.3° |
| H15 | C15 | C16 | C17 | 179.8° | 180.0° |
| H15 | C15 | C16 | O22 | 0.1° | 0.2° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| C17 | C16 | O22 | H22 | 0.1° | 90.0° |
| O22 | C16 | C17 | C18 | 179.9° | 180.0° |
| O22 | C16 | C17 | H17 | 0.1° | 0.1° |
| H17 | C17 | C18 | H18 | 0.1° | 0.1° |
